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At least 307 records · Page 17

Development & Experimental Validation of a Generalized Resistance-Capacitance Model for Numerical Simulation of Phase-Change Material Embedded Heat Exchangers

Latent heat thermal energy storage (LHTES) using phase change material (PCM) has attracted increased attention as a viable solution for overcoming the mismatch between energy supply and demand for renewable energy-based systems. PCM-embedded heat exchangers (PCM-HX) have the potential to significantly improve thermal performance due to high storage capacity and low temperature variation during the phase change process. Most models for simulating LHTES heat transfer use Computational Fluid Dynamics (CFD) simulations, which have high computational costs resulting from considering the complex and time-dependent physics relevant to PCM-HXs. In this paper, a Generalized Resistance Capacitance-based Model (GRCM) was developed to predict the thermal performance of arbitrary PCM-HXs in a computationally efficient manner without compromising modeling accuracy. The GRCM is exercised for three case studies: (i) verification for a single-slabbed finned PCM-HX, (ii) verification and validation for a copper foam/paraffin composite PCM-HX, and (iii) validation for a straight tube annular finned PCM-HX. The copper foam PCM-HX uses an electric heater at the top of HX, while the other two configurations utilize water as heat transfer fluid. For the single-slabbed finned PCM-HX melting case, the mean deviation in average PCM temperature predicted by the GRCM compared to the CFD model was between 0.56 – 0.73 K, with maximum temperature deviation of 2.68 K. For the HTF outlet temperature, the validation results showed that GRCM prediction matches very well with experimental data, with mean temperature deviation of 0.24 K during melting case, while for solidification case was 0.34 K. These results showcase the GRCM’s capability for accurately reproducing the thermal characteristics of PCM-HXs with considerably lower computational effort.

42 ENGINEERING↗

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗

Demonstrate multi-turbine simulation with hybrid-structured / unstructured-moving-grid software stack running primarily on GPUs and propose improvements for successful KPP-2

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines, capturing the thin boundary layers, and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources.

17 WIND ENERGY↗

Demonstrate moving-grid multi-turbine simulations primarily run on GPUs and propose improvements for successful KPP-2

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines, capturing the thin boundary layers, and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources.

17 WIND ENERGY↗

Demonstration and performance testing of extreme-resolution simulations with static meshes on Summit (CPU & GPU) for a parked-turbine configuration and an actuator-line (mid-fidelity model) wind farm configuration (ECP-Q4 FY2020 Milestone Report)

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind simulation environment are Nalu-Wind, an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, AMR-Wind, a block-structured-grid solver with adaptive mesh refinement capabilities, and OpenFAST, a wind-turbine structural dynamics solver. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and Helmholtz-type equations for transport of momentum and other scalars. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. The choice of overset-mesh methodology to model the moving and non-moving parts of the computational domain introduces constraint equations in the elliptic pressure-Poisson solver. The presence of constraints greatly affects the performance of algebraic multigrid preconditioners.

17 WIND ENERGY↗

Compare linear-system solver and preconditioner stacks with emphasis on GPU performance and propose phase-2 NGP solver development pathway

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. In this report we evaluated GPU-performance baselines for the linear solvers in the Trilinos and hypre solver stacks using two representative Nalu-Wind simulations: an atmospheric boundary layer precursor simulation on a structured mesh, and a fixed-wing simulation using unstructured overset meshes. Both strong-scaling and weak-scaling experiments were conducted on the OLCF supercomputer Summit and similar proxy clusters. We focused on the performance of multi-threaded Gauss-Seidel and two-stage Gauss-Seidel that are extensions of classical Gauss-Seidel; of one-reduce GMRES, a communication-reducing variant of the Krylov GMRES; and algebraic multigrid methods that incorporate the afore-mentioned methods. The team has established that AMG methods are capable of solving linear systems arising from the fixed-wing overset meshes on CPU, a critical intermediate result for ExaWind FY20 Q3 and Q4 milestones. For the fixed-wing strong-scaling study (model with 3M grid-points), the team identified that Nalu-Wind simulations with the new Trilinos and hypre solvers scale to modest GPU counts, maintaining above 70% efficiency up to 6 GPUs. However, there still remain significant bottlenecks to performance: matrix assembly (hypre), AMG setup (hypre and Trilinos) In the weak-scaling experiments (going from 0.4M to 211M gridpoints), it's shown that the solver apply phases are faster on GPUs, but that Nalu-Wind simulation times grow, primarily due to the multigrid-setup process. Finally, based on the report outcomes, we propose a linear solver path-forward for the remainder of the ExaWind project. Near term, the NREL team will continue their work on GPU-based linear-system assembly. They will also investigate how the use of alternatives to the NVIDIA UVM (unified virtual memory) paradigm affects performance. Longer term, the NREL team will evaluate algorithmic performance on other types of accelerators and merge their improvements back to the main hypre repository branch. Near term, the Trilinos team will address performance bottlenecks identified in this milestone, such as implementing a GPU-based segregated momentum solve and reusing matrix graphs across linear-system assembly phases. Longer term, the Trilinos team will do detailed analysis and optimization of multigrid setup.

17 WIND ENERGY↗

Design Study for Bio-Oil Production from Biomass Using a Dual Fluidized-Bed Reactor

To evaluate the re-design and reconfiguration of a dual-fluidized bed (DFB) gasification system into a recirculating pyrolysis reactor, Computation Fluid Dynamic (CFD) simulations of the system were conducted. The Barracuda Virtual Reactor® computational particle fluid dynamic code was used to perform simulations of the pyrolysis process. Modeling of the chemical reaction kinetics for both gas phase and solid particle phase were included. The recirculating pyrolysis reactor shown in Fig. 1a is based on a bubbling-bed biomass pyrolyzer and a riser combustor to convert the remaining char. The operational differences in the re-configuration of the DFB gasification system into a recirculating pyrolysis system for the production of bio-oil are (1) replacement of a low-surface area inert bed material with a high-surface-area bed material that has acidic properties to provide catalytic activity for the production of bio-oil with reduced oxygen content, (2) lower temperature and residence time for bio-oil production from pyrolysis, (3) replacement of the fluidization gas in the bubbling bed pyrolyzer from steam to nitrogen, and (4) the reduction of pyrolyzer freeboard volume. The bed material used for catalytic pyrolysis is Sasol 300 (300-micron dia., bulk density 0.94 kg/l, and surface area 130 m2/g) and is a theta-alumina with mild acidity. This is in comparison with previous standard bed material Carbo HSP (430-micron dia., bulk density 2.01 kg/l, and surface area 0.03 m2/g) used for gasification. For bio-oil production, pyrolysis in the bubbling bed requires temperatures in the range of 550 C in comparison with gasification temperatures near 850 C. To attain this lower temperature requires management of the energy mass balances, with control of the bed material recirculation rate between bubbling bed pyrolyzer and riser combustor, the introduction of a nitrogen purge in the pyrolyzer, and adjusting the pressure balance between the two vessels. To extract bio-oil from the pyrolysis reactor with a snorkel, two different freeboard configurations were evaluated. In Fig. 1 b the existing high freeboard configuration is shown and in Fig. 1 c the reduced freeboard design is presented. The introduction of a nitrogen purge for the high free board configuration provided the highest bio-oil production from the CFD simulations. To decrease the bed-material circulation rate, primary and secondary air on the combustor side were reduced, and the pressure on the combustor was slightly increased. A portion of the biomass and bio-oil was observed to be transported to the combustor, leading to a smaller pyrolysis yield. The control of the pyrolyzer temperature is performed by controlling the circulation rate. Good fluidization of the bubbling bed and cascade PID control are required to keep the temperature from oscillating due to large time delay experienced when changing primary and secondary air. (a) (b) (c) Figure 1. (a) Dual Fluidized Bed pyrolysis system configuration, (b) mole fraction of nonpolar biooil in high freeboard configuration, and (c) mole fraction of nonpolar bio-oil in low freeboard configuration with nitrogen purge introduced in both configurations.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗

A High-Speed Rotational Diamond Anvil Cell for In Situ Analysis of Hierarchical Microstructural Evolution of Metallic Alloys during Extreme Shear Deformation

High speed shear deformation is ubiquitous in engineering applications, ranging from material processing methods such as friction stir processing/extrusion and in tribological contacts. However, analyzing the microstructural evolution of materials while they are undergoing high speed shear deformation have been a long-standing challenge. This led to predominant reliance on ex situ microscopy before and after shear deformation. But ex situ microscopy lacks the ability to analyze dynamic and transient hierarchical microstructural evolution mechanisms that could occur during shear deformation of materials. Therefore, to better understand the dynamic mechanisms of mass and energy transfer in materials under shear deformation, we developed a first of its kind high-speed rotational diamond anvil cell (HS-RDAC) for synchrotron-based in situ high-energy x-ray diffraction (XRD). We studied the time resolved lattice strain evolution, XRD peak broadening and changes in spatial variation of shear deformation induced alloying in pure metal and metal alloy sheets and powder mixture using the HS-RDAC. These in situ results were combined with detailed ex situ microstructural characterization before and after the shear deformation using transmission electron microscopy and atom probe tomography, which revealed the different stages of evolution of a shear deformation induced hierarchical nanostructure. Multiscale computational simulations including computational fluid dynamics, crystal plasticity, molecular dynamic simulation and density functional theory uncovered the mechanisms behind morphological changes, evolution of defect structures and changes in driving force for shear deformation induced intermixing. In conclusion, this in situ HS-RDAC capability, in combination with ex situ microstructural characterization and computational simulations, can provide new insights into the hierarchical microstructural evolution pathway during shear deformation.

36 MATERIALS SCIENCE↗

Visualization and Tracking of Parallel CFD Simulations

We describe a system for interactive visualization and tracking of a 3-D unsteady computational fluid dynamics (CFD) simulation on a parallel computer. CM/AVS, a distributed, parallel implementation of a visualization environment (AVS) runs on the CM-5 parallel supercomputer. A CFD solver is run as a CM/AVS module on the CM-5. Data communication between the solver, other parallel visualization modules, and a graphics workstation, which is running AVS, are handled by CM/AVS. Partitioning of the visualization task, between CM-5 and the workstation, can be done interactively in the visual programming environment provided by AVS. Flow solver parameters can also be altered by programmable interactive widgets. This system partially removes the requirement of storing large solution files at frequent time steps, a characteristic of the traditional 'simulate (yields) store (yields) visualize' post-processing approach.

Vaziri, Arsi↗

Forecasting Dynamic Line Rating with Spatial Variation Considerations

Dynamic line rating (DLR) is a technology that allows the ampacity of an electrical conductor to be calculated using real-time or forecasted weather conditions. Historically, the ampacity of a conductor has been determined using a static line rating method which assumes conservative weather assumptions. Therefore, not only can DLR give a more accurate measurement of the true ampacity of a conductor, but it can also increase its ampacity during weather conditions with greater thermal mitigations. The two primary cooling factors in the ampacity calculations are wind speed and direction. In complex terrain, wind speed and direction can have large variations over short distances. Therefore, accurately identifying the limiting span of a transmission line requires high spatial resolution of the wind along its path. One solution is to install dense weather stations along their path, though this can become costly over long distances. Therefore, researchers have investigated the use of Computation Fluid Dynamic (CFD) simulations to accurately compute the wind field along the path of a transmission line and use these results to identify the limiting section of the conductor. This work presents a case study that evaluates the coupling of CFD simulations and forecasted weather simulations using the High-Resolution Rapid Refresh (HRRR) model points over a 2-year span within a region in south eastern Idaho. The primary goal of the work is the evaluation of the number of HRRR model points used, i.e., weather stations, along the path of the line and the accuracy of the resulting ampacity. This was done using 4, 10, 17, 26, and 35 HRRR model points along two transmission line paths. The results indicate that as the number of model points are increased, the DLR ampacity of the lines decrease, yet converge as more points are added and demonstrate little change with additional HRRR points. It is expected that these results can help transmission line operators identify the number of weather stations that must be installed when coupled with CFD simulations and DLR ampacity to ensure accurate ratings and safe operations.

17 WIND ENERGY↗

Evaluation of Spray and Combustion Models for Simulating Dilute Combustion in a Direct-Injection Spark-Ignition Engine

Dilute combustion in spark-ignition engines has the potential to improve thermal efficiency by mitigating knock and by reducing throttling and wall heat losses. However, ignition and combustion processes can become unstable for dilute operation due to a lowered laminar flame speed, resulting in excessive cycle-to-cycle variability (CCV) of the combustion process. To compensate for the slower combustion in less reactive mixtures, a modified intake port geometry can be employed to generate a strong tumble flow in the cylinder and elevate turbulence levels around the spark plug, thereby promoting a faster transition to turbulent deflagration. Consequently, optimizing combustion chamber geometry and operating strategy is crucial to maximizing the benefits of using dilute combustion with enhanced in-cylinder turbulence across a wide range of operating conditions. Computational fluid dynamics (CFD) simulations can be utilized for virtual engine optimization tasks, but this would require the models to be truly predictive regarding the impact of changes to the engine design and operational parameters.In this study, multicycle large-eddy simulations (LES) are performed for a direct-injection spark-ignition engine to investigate the model performance in predicting engine combustion characteristics with respect to changes in the intake configuration. A tumble plate that blocks the lower part of the intake port inlet is used to vary the tumble. A set of CFD models that have been recently developed are employed, which takes into account the drag of nonspherical droplets, flash-boiling behavior of liquid sprays, spray-wall interaction, surrogate formulation of a research-grade E10 gasoline, and fast chemical kinetic solvers. Simulation results are compared to experimental engine data in terms of cylinder pressure, apparent heat release rate, mass fraction burned timing, and flame images. It is found that LES employing the state-of-the-art CFD models are capable of properly predicting the spray processes and reproducing the measured mean cylinder pressure for the case with the tumble plate. On the other hand, the LES over-predicts the combustion rate during the early combustion stage and under-estimates the CCV, and these discrepancies become larger when the tumble plate is removed.

computational fluid dynamics simulation↗

Assessment of Various Flow Solvers Used to Predict the Thermal Environment inside Space Shuttle Solid Rocket Motor Joints

It is very important to accurately predict the gas pressure, gas and solid temperature, as well as the amount of O-ring erosion inside the space shuttle Reusable Solid Rocket Motor (RSRM) joints in the event of a leak path. The scenarios considered are typically hot combustion gas rapid pressurization events of small volumes through narrow and restricted flow paths. The ideal method for this prediction is a transient three-dimensional computational fluid dynamics (CFD) simulation with a computational domain including both combustion gas and surrounding solid regions. However, this has not yet been demonstrated to be economical for this application due to the enormous amount of CPU time and memory resulting from the relatively long fill time as well as the large pressure and temperature rising rate. Consequently, all CFD applications in RSRM joints so far are steady-state simulations with solid regions being excluded from the computational domain by assuming either a constant wall temperature or no heat transfer between the hot combustion gas and cool solid walls.

Wang, Qun-Zhen↗

Forecasting Dynamic Line Rating with Spatial Variation Considerations

Dynamic line rating (DLR) is a technology that allows the ampacity of an electrical conductor to be calculated using real-time or forecasted weather conditions. Historically, the ampacity of a conductor has been determined using a static line rating method which assumes conservative weather assumptions. Therefore, not only can DLR give a more accurate measurement of the true ampacity of a conductor, but it can also increase its ampacity during weather conditions with greater thermal mitigations. The two primary cooling factors in the ampacity calculations are wind speed and direction. In complex terrain, wind speed and direction can have large variations over short distances. Therefore, accurately identifying the limiting span of a transmission line requires high spatial resolution of the wind along its path. One solution is to install dense weather stations along their path, though this can become costly over long distances. Therefore, researchers have investigated the use of Computation Fluid Dynamic (CFD) simulations to accurately compute the wind field along the path of a transmission line and use these results to identify the limiting section of the conductor. This work presents a case study that evaluates the coupling of CFD simulations and forecasted weather simulations using the High-Resolution Rapid Refresh (HRRR) model points over a 2-year span within a region in south eastern Idaho. The primary goal of the work is the evaluation of the number of HRRR model points used, i.e., weather stations, along the path of the line and the accuracy of the resulting DLR ampacity. This was done using 4, 10, 17, 26, and 35 HRRR model points along two transmission line paths. The results indicate that as the number of model points are increased, the DLR ampacity of the lines decrease, yet converge as more points are added and demonstrate little change with additional HRRR points. It is expected that these results can help transmission line operators identify the number of weather stations that must be installed when coupled with CFD simulations and DLR ampacity to ensure accurate ratings and safe operations.

17 WIND ENERGY↗

An Overset Grid Motion Driver for Resolving Entry Vehicle CFD Simulations with Large Changes in Wake Orientation

Time-accurate computational fluid dynamics (CFD) simulations using overset meshes can enable reduced computational cost compared to a rigid, monolithic mesh for blunt-body atmospheric entry vehicles. If the vehicle has a significant change in attitude, the high-density region of the overset mesh designed for resolving the subsonic wake can be kept in position as the wake orientation changes relative to the body. Current simulations generally keep the wake mesh fixed in attitude while the body rotates, assuming the wake orientation remains relatively constant. However, changes in the relative velocity over a long-duration simulation or effects of the body geometry can invalidate this assumption. This work presents a method for calculating the desired mesh orientation to resolve a blunt body wake using the atmosphere-relative velocity of the vehicle. A motion driver using these calculations is implemented in a CFD-in-the-loop flight model bridging the FUN3D flow solver and POST2 trajectory propagator. Overset meshing is performed using the Yoga extension for FUN3D. Results are presented for simulations with both overset and monolithic meshes under large changes in relative velocity (and therefore wake orientation). The results demonstrate that the motion driver successfully orients an overset wake mesh to capture the subsonic wake with sufficient resolution despite variable body rotation and body-relative freestream velocity.

Computational Fluid Dynamics↗

An Overset Grid Motion Driver for Resolving Entry Vehicle CFD Simulations with Large Changes in Wake Orientation

Time-accurate computational fluid dynamics (CFD) simulations using overset meshes can enable reduced computational cost compared to a rigid, monolithic mesh for blunt-body atmospheric entry vehicles. If the vehicle has a significant change in attitude, the high-density region of the overset mesh designed for resolving the subsonic wake can be kept in position as the wake orientation changes relative to the body. Current simulations generally keep the wake mesh fixed in attitude while the body rotates, assuming the wake orientation remains relatively constant. However, changes in the relative velocity over a long-duration simulation or effects of the body geometry can invalidate this assumption. This work presents a method for calculating the desired mesh orientation to resolve a blunt body wake using the atmosphere-relative velocity of the vehicle. A motion driver using these calculations is implemented in a CFD-in-the-loop flight model bridging the FUN3D flow solver and POST2 trajectory propagator. Overset meshing is performed using the Yoga extension for FUN3D. Results are presented for simulations with both overset and monolithic meshes under large changes in relative velocity (and therefore wake orientation). The results demonstrate that the motion driver successfully orients an overset wake mesh to capture the subsonic wake with sufficient resolution despite variable body rotation and body-relative freestream velocity.

CFD↗

Validation Framework for Post-Combustion Carbon Capture CFD Simulations

First-principles based computational fluid dynamics (CFD) simulations are proposed as a fundamental tool for investigating solvent-based CO2 absorption in packed columns, due to the ability to accurately represent the underlying non-linear multiscale dynamics. In this work, we employ such models to investigate hydrodynamics of columns with structured by assessing the key hydrodynamic metrics, such as pressure drop and liquid holdup. Our models are validated with experimental data from a specifically designed column for this line of work. The test cases of gas and liquid flowrates and operating conditions were selected through a comprehensive sequential design of experiments approach offered by the CCSI2 toolset.

Panagakos, Grigorios↗

CFD-trained ANN Model for Approximating Near-occupant Condition in Real-time Simulations

The main drawback of Computational Fluid Dynamics (CFD) simulations has been the time and resource consuming nature which is not suitable for real-time applications. In this work, we first generated numerous CFD models of a given indoor space to obtain airspeed, temperature, and mean radiant temperature near an occupant as training data. Several artificial neural networks (ANN) models were trained using this CFD simulated data to approximate near real-time environmental conditions for a given occupant. This trained ANN model approach is a part of a real-time simulation of building operations using a combination of software and real hardware (HVAC equipment) approaches. The preliminary results suggest that the CFD- generated training data and the trained ANN model can accurately approximate such conditions in a real-time application, a method that has great potential in building simulation and building digital twin areas of research.

Zhang, Yun↗